3-(3-phenyl-1H-1,2,4-triazol-5-yl)propanoic acid

Systemtic Name: 3-(3-phenyl-1H-1,2,4-triazol-5-yl)propanoic acid Openeye Name: 3-(3-phenyl-1H-1,2,4-triazol-5-yl)propanoic acid CAS Name: 3-(3-phenyl-1H-1,2,4-triazol-5-yl)propanoic acid IUPAC Name: 3-(3-phenyl-1H-1,2,4-triazol-5-yl)propanoic acid Traditional Name: 3-(3-phenyl-1H-1,2,4-triazol-5-yl)propionic acid Formula: C11H11N3O2 MolecularWeight: 217.22394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=N2)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=N2)CCC(=O)O

InChI

InChI=1S/C11H11N3O2/c15-10(16)7-6-9-12-11(14-13-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)(H,12,13,14)